DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:02 UTC
Update Date	2025-03-25 00:45:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151196
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₆O₄S
Molecular Mass	348.158
SMILES	N=C(N)NCCCC(N)C(=O)NC(CSCCC(N)=O)C(=O)O
InChI Key	PCBKHYNORDCBFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids cysteine and derivatives dialkylthioethers guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide alpha-amino acid or derivatives organosulfur compound organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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